CID 22374064

1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide

Structural Information

Molecular Formula
C6H6F3N3O
SMILES
CN1C=C(C(=N1)C(F)(F)F)C(=O)N
InChI
InChI=1S/C6H6F3N3O/c1-12-2-3(5(10)13)4(11-12)6(7,8)9/h2H,1H3,(H2,10,13)
InChIKey
UTBJLKDVQNCKAS-UHFFFAOYSA-N
Compound name
1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

205
Patents

193.0463 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.05358 134.4
[M+Na]+ 216.03552 144.6
[M-H]- 192.03902 132.0
[M+NH4]+ 211.08012 152.8
[M+K]+ 232.00946 142.5
[M+H-H2O]+ 176.04356 125.6
[M+HCOO]- 238.04450 153.1
[M+CH3COO]- 252.06015 184.1
[M+Na-2H]- 214.02097 137.6
[M]+ 193.04575 129.9
[M]- 193.04685 129.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe